(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene

C7H15NO2S — CID 88715356

IUPAC(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
SMILESC=C.CSCC[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2S.C2H4/c1-9-3-2-4(6)5(7)8;1-2/h4H,2-3,6H2,1H3,(H,7,8);1-2H2/t4-;/m0./s1
InChIKeyPLABUVACDUBYOO-WCCKRBBISA-N
MW177.27 g/mol
LogP0.95
Rot. Bonds4

About (2S)-2-amino-4-methylsulfanylbutanoic acid;ethene

(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene (PubChem CID 88715356) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (2S)-2-amino-4-methylsulfanylbutanoic acid;ethene.

Molecular Properties

Compound Name(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
PubChem CID88715356
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
SMILESC=C.CSCC[C@H](N)C(=O)O
InChIInChI=1S/C5H11NO2S.C2H4/c1-9-3-2-4(6)5(7)8;1-2/h4H,2-3,6H2,1H3,(H,7,8);1-2H2/t4-;/m0./s1
InChIKeyPLABUVACDUBYOO-WCCKRBBISA-N
XLogP0.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
CID 173007920
CID 173007920
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
(2S)-2-amino-4-methylsulfanylbutanoic acid;methylsulfanium;bromide
CID 57348970

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;ethene?
The IUPAC name of (2S)-2-amino-4-methylsulfanylbutanoic acid;ethene (CID 88715356) is (2S)-2-amino-4-methylsulfanylbutanoic acid;ethene.
What is the SMILES notation for (2S)-2-amino-4-methylsulfanylbutanoic acid;ethene?
The canonical SMILES for (2S)-2-amino-4-methylsulfanylbutanoic acid;ethene is C=C.CSCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-methylsulfanylbutanoic acid;ethene?
The InChIKey is PLABUVACDUBYOO-WCCKRBBISA-N. The full InChI is InChI=1S/C5H11NO2S.C2H4/c1-9-3-2-4(6)5(7)8;1-2/h4H,2-3,6H2,1H3,(H,7,8);1-2H2/t4-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methylsulfanylbutanoic acid;ethene?
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene has a molecular weight of 177.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylsulfanylbutanoic acid;ethene is sourced from PubChem (CID 88715356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).